(3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine

C11H15NO — CID 115467399

IUPAC(3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine
SMILESNCC/C=C1/CCCc2occc21
InChIInChI=1S/C11H15NO/c12-7-2-4-9-3-1-5-11-10(9)6-8-13-11/h4,6,8H,1-3,5,7,12H2/b9-4-
InChIKeyBJFFUPXLWTUAOB-WTKPLQERSA-N
MW177.25 g/mol
LogP2.35
Rot. Bonds2

About (3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine

(3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine (PubChem CID 115467399) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine.

Molecular Properties

Compound Name(3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine
PubChem CID115467399
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine
SMILESNCC/C=C1/CCCc2occc21
InChIInChI=1S/C11H15NO/c12-7-2-4-9-3-1-5-11-10(9)6-8-13-11/h4,6,8H,1-3,5,7,12H2/b9-4-
InChIKeyBJFFUPXLWTUAOB-WTKPLQERSA-N
XLogP2.35
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butylidene-6,7-dihydro-5H-1-benzofuran
CID 54518756
3-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-1-amine
CID 76997136
methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate
CID 115466743
6,7-dihydro-5H-1-benzofuran-4-one;ethane
CID 91171294
(Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine
CID 126997465
5,6-dihydro-4H-cyclopenta[b]furan;ethane
CID 91348632
acetylene;4,5,6,7-tetrahydro-1-benzofuran
CID 142194982
2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride
CID 21196726
3-cyclododecylidenepropan-1-amine
CID 63968852
3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine
CID 115466700
spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
CID 112714431
(1Z,2E)-1,2-di(butylidene)cyclopentane
CID 177483288

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine?
The IUPAC name of (3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine (CID 115467399) is (3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine.
What is the SMILES notation for (3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine?
The canonical SMILES for (3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine is NCC/C=C1/CCCc2occc21.
What is the InChIKey of (3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine?
The InChIKey is BJFFUPXLWTUAOB-WTKPLQERSA-N. The full InChI is InChI=1S/C11H15NO/c12-7-2-4-9-3-1-5-11-10(9)6-8-13-11/h4,6,8H,1-3,5,7,12H2/b9-4-.
What are the key properties of (3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine?
(3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine has a molecular weight of 177.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine is sourced from PubChem (CID 115467399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).