(1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride

C7H10ClNO — CID 171231702

IUPAC(1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@H](N)c1ccco1.Cl
InChIInChI=1S/C7H9NO.ClH/c1-2-6(8)7-4-3-5-9-7;/h2-6H,1,8H2;1H/t6-;/m0./s1
InChIKeyISXGGJQYVCREDT-RGMNGODLSA-N
MW159.62 g/mol
LogP1.89
Rot. Bonds2

About (1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride

(1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride (PubChem CID 171231702) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride
PubChem CID171231702
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name(1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@H](N)c1ccco1.Cl
InChIInChI=1S/C7H9NO.ClH/c1-2-6(8)7-4-3-5-9-7;/h2-6H,1,8H2;1H/t6-;/m0./s1
InChIKeyISXGGJQYVCREDT-RGMNGODLSA-N
XLogP1.89
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 156789139
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CID 131879129
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107907535
N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline
CID 102087779
dimethyl 2-[1-(furan-2-yl)prop-2-enyl]propanedioate
CID 13217837
1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 86263007
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
1-(2-bromofuran-3-yl)prop-2-en-1-amine
CID 103846063
2-amino-2-(furan-2-yl)ethanol
CID 54048773
cyclobutyl(furan-2-yl)methanamine;hydrochloride
CID 86263195
1-(furan-2-yl)-3,3-dimethylbutan-1-amine;hydrochloride
CID 86263034

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride (CID 171231702) is (1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride is C=C[C@H](N)c1ccco1.Cl.
What is the InChIKey of (1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride?
The InChIKey is ISXGGJQYVCREDT-RGMNGODLSA-N. The full InChI is InChI=1S/C7H9NO.ClH/c1-2-6(8)7-4-3-5-9-7;/h2-6H,1,8H2;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride?
(1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride has a molecular weight of 159.62 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171231702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).