(E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one

C10H17NO — CID 177230684

IUPAC(E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one
SMILESCC(=O)/C=C/CN(C)CC1CC1
InChIInChI=1S/C10H17NO/c1-9(12)4-3-7-11(2)8-10-5-6-10/h3-4,10H,5-8H2,1-2H3/b4-3+
InChIKeyUXCSJNLMBCZKCM-ONEGZZNKSA-N
MW167.25 g/mol
LogP1.47
Rot. Bonds5

About (E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one

(E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one (PubChem CID 177230684) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one
PubChem CID177230684
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one
SMILESCC(=O)/C=C/CN(C)CC1CC1
InChIInChI=1S/C10H17NO/c1-9(12)4-3-7-11(2)8-10-5-6-10/h3-4,10H,5-8H2,1-2H3/b4-3+
InChIKeyUXCSJNLMBCZKCM-ONEGZZNKSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[cyclohexylmethyl(methyl)amino]but-2-enoic acid
CID 62343320
ethyl (E)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]but-2-enoate
CID 80549712
(E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one
CID 142388492
(E)-5-[methyl-[3-(oxiran-2-yl)butyl]amino]pent-3-en-2-one
CID 174357967
ethane;(E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one
CID 177231663
(E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine
CID 131248446
(E)-4-[cyclopropylmethyl(ethyl)amino]but-2-enoic acid
CID 63956628
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
(E)-5-[tert-butyl(methyl)amino]pent-3-en-2-one;ethane
CID 177230632
N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide
CID 156687038
N'-methyl-N'-(oxan-4-ylmethyl)but-2-ene-1,4-diamine
CID 77110218
2-[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopropyl]acetic acid
CID 65497799

Frequently Asked Questions

What is the IUPAC name of (E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one?
The IUPAC name of (E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one (CID 177230684) is (E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one.
What is the SMILES notation for (E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one?
The canonical SMILES for (E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one is CC(=O)/C=C/CN(C)CC1CC1.
What is the InChIKey of (E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one?
The InChIKey is UXCSJNLMBCZKCM-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(12)4-3-7-11(2)8-10-5-6-10/h3-4,10H,5-8H2,1-2H3/b4-3+.
What are the key properties of (E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one?
(E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[cyclopropylmethyl(methyl)amino]pent-3-en-2-one is sourced from PubChem (CID 177230684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).