3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C15H20N2O2 — CID 103313451

IUPAC3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1NCC1(CO)CC1
InChIInChI=1S/C15H20N2O2/c18-10-15(7-8-15)9-16-13-6-5-11-3-1-2-4-12(11)17-14(13)19/h1-4,13,16,18H,5-10H2,(H,17,19)
InChIKeyMFOMDVDILHWYEQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.30
Rot. Bonds4

About 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103313451) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103313451
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1NCC1(CO)CC1
InChIInChI=1S/C15H20N2O2/c18-10-15(7-8-15)9-16-13-6-5-11-3-1-2-4-12(11)17-14(13)19/h1-4,13,16,18H,5-10H2,(H,17,19)
InChIKeyMFOMDVDILHWYEQ-UHFFFAOYSA-N
XLogP1.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 107317427
3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313547
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide
CID 139617273
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
CID 103313171
3-[(4-fluorophenyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313096
3-(2-chloroprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313500
3-(2-methylprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313566
3-(pyridin-4-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313133
3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313077
3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313550
3-(tritylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 66971958
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313304

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103313451) is 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1Nc2ccccc2CCC1NCC1(CO)CC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is MFOMDVDILHWYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-10-15(7-8-15)9-16-13-6-5-11-3-1-2-4-12(11)17-14(13)19/h1-4,13,16,18H,5-10H2,(H,17,19).
What are the key properties of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103313451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).