(E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine

C8H15ClN2 — CID 144839728

IUPAC(E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine
SMILESC/C=C(/Cl)NCC1CCCN1
InChIInChI=1S/C8H15ClN2/c1-2-8(9)11-6-7-4-3-5-10-7/h2,7,10-11H,3-6H2,1H3/b8-2-
InChIKeyKHOAQLOTGDGZSJ-WAPJZHGLSA-N
MW174.67 g/mol
LogP1.43
Rot. Bonds3

About (E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine

(E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine (PubChem CID 144839728) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is (E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine
PubChem CID144839728
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name(E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine
SMILESC/C=C(/Cl)NCC1CCCN1
InChIInChI=1S/C8H15ClN2/c1-2-8(9)11-6-7-4-3-5-10-7/h2,7,10-11H,3-6H2,1H3/b8-2-
InChIKeyKHOAQLOTGDGZSJ-WAPJZHGLSA-N
XLogP1.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine
CID 91407987
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
N-(pyrrolidin-2-ylmethyl)but-2-ynamide
CID 107990230
(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577
(2S)-2-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 130985831
N-methyl-1-pyrrolidin-2-ylmethanamine;molecular hydrogen
CID 153348528
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol
CID 106638717
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
CID 106639404

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine?
The IUPAC name of (E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine (CID 144839728) is (E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine?
The canonical SMILES for (E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine is C/C=C(/Cl)NCC1CCCN1.
What is the InChIKey of (E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine?
The InChIKey is KHOAQLOTGDGZSJ-WAPJZHGLSA-N. The full InChI is InChI=1S/C8H15ClN2/c1-2-8(9)11-6-7-4-3-5-10-7/h2,7,10-11H,3-6H2,1H3/b8-2-.
What are the key properties of (E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine?
(E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine has a molecular weight of 174.67 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine is sourced from PubChem (CID 144839728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).